Isophthalic Acid

Isophthalic Acid

SCHEMBL6378446

O=C([O-])c1cccc(C(=O)O)c1.[K+]

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA

The experimentally established mechanism targets of Isophthalic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.56
CA4 P22748 1/20 0.56
CA1 P00915 2/20 0.56
CA9 Q16790 2/20 0.56
CA12 O43570 1/20 0.56
CA6 P23280 1/20 0.56
KMO O15229 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TP53 P04637 1/20 0.52
DAO P14920 1/20 0.50
TSHR P16473 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
UNG P13051 1/20 0.50
FOLH1 Q04609 1/20 0.48
AKR1C3 P42330 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ATM Q13315 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Isophthalic Acid SCHEMBL15572660 0.96 CA2 (0.52) CA2CA4CA1CA9CA12
Isophthalic Acid SCHEMBL11436838 0.95 CA2 (0.56) CA2CA4CA1CA9CA12
Isophthalic Acid SCHEMBL31187513 0.95 CA2 (0.62) CA2CA4CA1CA9CA12
Isophthalic Acid SCHEMBL725833 0.95 CA2 (0.62) CA2CA4CA1CA9CA12
Isophthalic Acid SCHEMBL15571521 0.93 CA2 (0.54) CA2CA4CA1CA9CA12
Isophthalic Acid SCHEMBL15571213 0.93 CA2 (0.54) CA2CA4CA1CA9CA12
Isophthalic Acid SCHEMBL9930191 0.93 CA2 (0.54) CA2CA4CA1CA9CA12
Isophthalic Acid SCHEMBL15573521 0.91 CA2 (0.58) CA2CA4CA1CA9CA12
Isophthalic Acid SCHEMBL105996 0.91 CA2 (0.59) CA2CA4CA1CA9CA12
Isophthalic Acid SCHEMBL15570534 0.90 CA2 (0.47) CA2CA4CA1CA9CA12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10364322-B2 Naphthalene-containing polymers and methods of making the same ALLIANCE FOR SUSTAINABLE ENERGY, LLC (US) 2019-07-30 US disclosed
US-20180208716-A1 NAPHTHALENE-CONTAINING POLYMERS AND METHODS OF MAKING THE SAME Alliance for Energy Innovation, LLC 2018-07-26 US disclosed
US-20150238948-A1 POLYMERIC AND SOLID-SUPPORTED CATALYSTS, AND METHODS OF DIGESTING LIGNIN-CONTAINING MATERIALS USING SUCH CATALYSTS Midori Renewables, Inc. (US) 2015-08-27 US disclosed
EP-2888043-A1 POLYMERIC AND SOLID-SUPPORTED CATALYSTS, AND METHODS OF DIGESTING LIGNIN-CONTAINING MATERIALS USING SUCH CATALYSTS Midori Renewables, Inc. (US) 2015-07-01 EP disclosed
EP-2475000-B1 PROCESSING AGENT COMPOSITION FOR SEMICONDUCTOR SURFACE AND METHOD FOR PROCESSING SEMICONDUCTOR SURFACE USING SAME WAKO PURE CHEM IND LTD (JP) 2015-07-01 EP disclosed
US-9034810-B2 Processing agent composition for semiconductor surface and method for processing semiconductor surface using same WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2015-05-19 US disclosed
WO-2014032004-A1 POLYMERIC AND SOLID-SUPPORTED CATALYSTS, AND METHODS OF DIGESTING LIGNIN-CONTAINING MATERIALS USING SUCH CATALYSTS Midori Renewables, Inc. (US) 2014-02-27 WO disclosed
EP-2475000-A1 PROCESSING AGENT COMPOSITION FOR SEMICONDUCTOR SURFACE AND METHOD FOR PROCESSING SEMICONDUCTOR SURFACE USING SAME Wako Pure Chemical Industries, Ltd. (JP) 2012-07-11 EP disclosed
US-20120157368-A1 PROCESSING AGENT COMPOSITION FOR SEMICONDUCTOR SURFACE AND METHOD FOR PROCESSING SEMICONDUCTOR SURFACE USING SAME WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-06-21 US disclosed
EP-1400524-B1 Tetrakis(fluoroaryl) borate/ether complexes and process for preparing the same NIPPON CATALYTIC CHEM IND (JP) 2005-11-30 EP disclosed
US-6380435-B2 CHEMICAL INTERMEDIATE FOR POLYMERIZATION CATALYST NIPPON SHOKUBAI CO., LTD. (JP) 2002-04-30 US disclosed
US-6281389-B1 MIXING WITH SOLVENT; DISTILLATION NIPPON SHOKUBAI CO., LTD. (JP) 2001-08-28 US disclosed
US-20010014739-A1 Purifying process of tetrakis (fluoroaryl) borate.magnesium halide, tetrakis (fluoroaryl) borate.ether complex and producing process of the same, and producing process of tetrakis (fluoroaryl) borate derivative NIPPON SHOKUBAI CO., LTD. 2001-08-16 US disclosed
US-6215025-B1 Method for purifying tetrakis (fluoroaryl) borate/magnesium halide, tetrakis (fluoroaryl) borate/ether complex and process for preparing the same, and process for preparing tetrakis (fluoroaryl) borate derivative NIPPON SHOKUBAI CO., LTD. (JP) 2001-04-10 US disclosed
EP-0985672-A2 Method for purifying tetrakis(fluoroaryl)borate compounds Nippon Shokubai Co., Ltd. (JP) 2000-03-15 EP disclosed
EP-0913400-A1 METHOD FOR PURIFYING TETRAKIS(FLUOROARYL) BORATE/MAGNESIUM HALIDE, TETRAKIS(FLUOROARYL) BORATE/ETHER COMPLEX AND PROCESS FOR PREPARING THE SAME, AND PROCESS FOR PREPARING TETRAKIS(FLUOROARYL) BORATE DERIVATIVE Nippon Shokubai Co., Ltd. (JP) 1999-05-06 EP disclosed
EP-0194058-B1 PROCESS OF PREPARING POLYAMIDES AND/OR POLYIMIDES MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-11-08 EP disclosed
US-4795795-A Catalytic preparation of polyamide or polyamide-polymide with N,N'-dimethyl alkylene urea solvent MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1989-01-03 US disclosed
EP-0194058-A2 Process of preparing polyamides and/or polyimides MITSUI TOATSU CHEMICALS, Inc. (JP) 1986-09-10 EP disclosed
US-4395531-A Process for the preparation of polyamide compounds by the reaction of polycarboxylic acids with diisocyanates in the presence of at least one mono-alkali metal salt of dicarboxylic acid MITSUI TOATSU CHEMICAL INCORPORATED (JP) 1983-07-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20010014739-A1 Purifying process of tetrakis (fluoroaryl) borate.magnesium halide, tetrakis (fluoroaryl) borate.ether complex and producing process of the same, and producing process of tetrakis (fluoroaryl) borate derivative BMX, BRIX1, CYP4X1 CA2 590/4885CA4 283/4885CA1 939/4885
US-20180208716-A1 NAPHTHALENE-CONTAINING POLYMERS AND METHODS OF MAKING THE SAME NCL, NUCB2, NOC2L CA2 4307/4885CA4 3751/4885CA1 2750/4885
US-20150238948-A1 POLYMERIC AND SOLID-SUPPORTED CATALYSTS, AND METHODS OF DIGESTING LIGNIN-CONTAINING MATERIALS USING SUCH CATALYSTS LCT, AGL, MGAM CA2 1626/4885CA4 583/4885CA1 1072/4885
US-10364322-B2 Naphthalene-containing polymers and methods of making the same NCL, NUCB2, NOC2L CA2 4307/4885CA4 3751/4885CA1 2750/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.